(5E)-2-azanyl-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile

Systemtic Name: (5E)-2-azanyl-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Openeye Name: (5E)-2-amino-5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-4,6-dimethyl-cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile CAS Name: (5E)-2-amino-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile IUPAC Name: (5E)-2-amino-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile Traditional Name: (5E)-2-amino-5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-4,6-dimethyl-1-pyrindin-1-ium-3,7-dicarbonitrile Formula: C20H16BrN4O2+ MolecularWeight: 424.27064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC(=C(C(=C3)Br)O)OC)C(=C(C(=[NH+]2)N)C#N)C)C#N

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC(=C(C(=C3)Br)O)OC)C(=C(C(=[NH+]2)N)C#N)C)C#N

InChI

InChI=1S/C20H15BrN4O2/c1-9-12(4-11-5-15(21)19(26)16(6-11)27-3)17-10(2)14(8-23)20(24)25-18(17)13(9)7-22/h4-6,26H,1-3H3,(H2,24,25)/p+1/b12-4+